- InChI
- InChI=1S/C17H22O4/c1-3-5-6-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-4-2/h5-6,8-10,13H,3-4,7,11-12H2,1-2H3/b6-5-
- InChI Key
- FOBIQWNQQYRDHL-WAYWQWQTSA-N
- Formula
- C17H22O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCC)
c1 - Molecular Weight1
- 290.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -192.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 3.766 | Crippen Calculated Property | |
| McVol | 237.210 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | 2153.00 | NIST | |
| Tboil | 776.76 | K | Joback Calculated Property |
| Tc | 982.95 | K | Joback Calculated Property |
| Tfus | 459.53 | K | Joback Calculated Property |
| Vc | 0.907 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.33; 754.50] | J/mol×K | [776.76; 982.95] | 
|
| Cp,gas | 679.33 | J/mol×K | 776.76 | Joback Calculated Property |
| Cp,gas | 694.24 | J/mol×K | 811.12 | Joback Calculated Property |
| Cp,gas | 708.16 | J/mol×K | 845.49 | Joback Calculated Property |
| Cp,gas | 721.12 | J/mol×K | 879.85 | Joback Calculated Property |
| Cp,gas | 733.15 | J/mol×K | 914.22 | Joback Calculated Property |
| Cp,gas | 744.26 | J/mol×K | 948.58 | Joback Calculated Property |
| Cp,gas | 754.50 | J/mol×K | 982.95 | Joback Calculated Property |
| η | [0.0000713; 0.0007226] | Pa×s | [459.53; 776.76] |
|
| η | 0.0007226 | Pa×s | 459.53 | Joback Calculated Property |
| η | 0.0004025 | Pa×s | 512.40 | Joback Calculated Property |
| η | 0.0002501 | Pa×s | 565.27 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 618.14 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 671.02 | Joback Calculated Property |
| η | 0.0000911 | Pa×s | 723.89 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 776.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cis-hex-3-enyl propyl ester.
Sources
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